N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; ethanedioate

Systemtic Name: N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; ethanedioate Openeye Name: N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalate CAS Name: N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalate IUPAC Name: N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalate Traditional Name: dimethyl-[2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethyl]amine; oxalate Formula: C21H21N3O6-2 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O2.C2H2O4/c1-21(2)12-11-15-13-14-7-3-4-8-16(14)19(20-15)17-9-5-6-10-18(17)22(23)24;3-1(4)2(5)6/h3-10,15H,11-13H2,1-2H3;(H,3,4)(H,5,6)/p-2